Compound Detail
CHEMBL345552
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Basic Information
| ChEMBL ID | CHEMBL345552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKZVRIHTYWJVDD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
2.65
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.37 | 8.37 | 4.3 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.31 | 6.31 | 493.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.6 | 5.6 | 2490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 4.3 | nM | 8.37 | Binding affinity at Dopamine receptor D4 in CHO cells by radioligand displacemen... | 10602703 |
| D(2) dopamine receptor | Ki | = | 493.0 | nM | 6.31 | Binding affinity at Dopamine receptor D2 in CHO cells by radioligand displacemen... | 10602703 |
| D(3) dopamine receptor | Ki | = | 2490.0 | nM | 5.6 | Binding affinity at Dopamine receptor D3 in CHO cells by radioligand displacemen... | 10602703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10602703 | 10.1021/jm990277d | Rattus norvegicus | 2 |
| 10602703 | 10.1021/jm990277d | D(4) dopamine receptor | 1 |
| 10602703 | 10.1021/jm990277d | D(3) dopamine receptor | 1 |
| 10602703 | 10.1021/jm990277d | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine